ISOPROPAMIDE

Search structure
Synonyms:
Status: Approved (1957)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A03AB09
UNII: 8B9I31H724

Structure
InChI Key JTPUMZTWMWIVPA-UHFFFAOYSA-O
Smile CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C
InChI
InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H33N2O+
Molecular Weight 353.53
AlogP 4.11
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 43.09
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -10.99--3.66

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 6043
ChEMBL CHEMBL1201232
DrugBank DB01625
DrugCentral 1500
EPA CompTox DTXSID9023174
FDA SRS 8B9I31H724
Human Metabolome Database HMDB15562
KEGG C07055
PharmGKB PA164781398
PubChem 3775
SureChEMBL SCHEMBL100256
ZINC ZINC000001530668
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